This paper presents a numerical modelling study on the simulation of the cracking process and fracture energy in concrete under high strain rate. To capture the stress wave effect and the damage evolution at the meso-length scale, both a homogeneous model with a millimetreresolution mesh and an explicit heterogeneous mesoscale model with random polygon aggregates are employed. The tendency of d...

Large-eddy simulations (LES) differ from other fluid flow computations in that the largest eddies are explicitly resolved and the smaller eddies are modeled (as engineers call it) or parameterized (as oceanographers call it). Modeling the ocean and atmosphere inspired the first large-eddy simulations, but true large-eddy simulations of the ocean and atmosphere are surprisingly rare. Ocean model...

■ Abstract Polymers offer a wide spectrum of possibilities for materials applications, in part because of the chemical complexity and variability of the constituent molecules, and in part because they can be blended together with other organic as well as inorganic components. The majority of applications of polymeric materials is based on their excellent mechanical properties, which arise from ...

In the past decades, several mesoscale simulation techniques have emerged as tools to study hydrodynamic flow phenomena on scales in the range of nanoto micrometers. Examples are Dissipative Particle Dynamics (DPD), Multiparticle Collision Dynamics (MPCD), or Lattice Boltzmann (LB) methods. These methods allow one to access time and length scales which are not yet within reach of atomistic Mole...

A wide spectrum of Peritrichous bacteria undergo considerable physiological changes when they are inoculated onto nutrition-rich surfaces and exhibit a rapid and collective migration denoted as swarming. Thereby, the length of such swarmer cells and their number of flagella increases substantially. In this article, we investigated the properties of individual E. coli-type swarmer cells confined...

This paper outlines the benefits of computational steering for high performance computing applications. Lattice-Boltzmann mesoscale fluid simulations of binary and ternary amphiphilic fluids in two and three dimensions are used to illustrate the substantial improvements which computational steering offers in terms of resource efficiency and time to discover new physics. We discuss details of ou...

We present a stochastic rotation dynamics model of amphiphilic molecules. Vesicle formation of amphiphilic molecules in a thermal fluctuating fluid is demonstrated in this paper. In the model, the interaction of amphiphilic molecules is represented by Lennard–Jones potentials, and stochastic rotation dynamics [T. Ihle, D.M. Kroll, Stochastic rotation dynamics: A Galilean-invariant mesoscopic mo...

Molecular dynamics simulations have been performed to model 5-keV C60 and Au3 projectile bombardment of an amorphous water substrate. The goal is to obtain detailed insights into the dynamics of motion in order to develop a straightforward and less computationally demanding model of the process of ejection. The molecular dynamics results provide the basis for the mesoscale energy deposition foo...

We determine the viscosity parameters of the multiparticle collision dynamics (MPC) approach, a particle-based mesoscale hydrodynamic simulation method for fluids. We perform analytical calculations and verify our results by simulations. The stochastic rotation dynamics and the Andersen thermostat variant of MPC are considered, both with and without angular momentum conservation. As an importan...